BDBM50220910 (S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan-2-ol::CHEMBL393648

SMILES: O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12

InChI Key: InChIKey=PITGAFMHSKTZOO-AWEZNQCLSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50220910   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50220910 ((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...) Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 17: 5600-4 (2007) Article DOI: 10.1016/j.bmcl.2007.07.086 BindingDB Entry DOI: 10.7270/Q2FJ2GG0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50220910 ((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...) Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human adrenergic beta1 receptor				Bioorg Med Chem Lett 17: 5600-4 (2007) Article DOI: 10.1016/j.bmcl.2007.07.086 BindingDB Entry DOI: 10.7270/Q2FJ2GG0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50220910 ((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...) Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human adrenergic beta2 receptor				Bioorg Med Chem Lett 17: 5600-4 (2007) Article DOI: 10.1016/j.bmcl.2007.07.086 BindingDB Entry DOI: 10.7270/Q2FJ2GG0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50220910 ((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...) Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding				Bioorg Med Chem Lett 17: 5600-4 (2007) Article DOI: 10.1016/j.bmcl.2007.07.086 BindingDB Entry DOI: 10.7270/Q2FJ2GG0
					More data for this Ligand-Target Pair